3-ethyl-3,5,5-trimethylheptanedihydrazide

C12H26N4O2 — CID 118550299

IUPAC3-ethyl-3,5,5-trimethylheptanedihydrazide
SMILESCCC(C)(CC(=O)NN)CC(C)(C)CC(=O)NN
InChIInChI=1S/C12H26N4O2/c1-5-12(4,7-10(18)16-14)8-11(2,3)6-9(17)15-13/h5-8,13-14H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyXXDIBUXIXVVCFQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.58
Rot. Bonds7

About 3-ethyl-3,5,5-trimethylheptanedihydrazide

3-ethyl-3,5,5-trimethylheptanedihydrazide (PubChem CID 118550299) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-ethyl-3,5,5-trimethylheptanedihydrazide.

Molecular Properties

Compound Name3-ethyl-3,5,5-trimethylheptanedihydrazide
PubChem CID118550299
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name3-ethyl-3,5,5-trimethylheptanedihydrazide
SMILESCCC(C)(CC(=O)NN)CC(C)(C)CC(=O)NN
InChIInChI=1S/C12H26N4O2/c1-5-12(4,7-10(18)16-14)8-11(2,3)6-9(17)15-13/h5-8,13-14H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyXXDIBUXIXVVCFQ-UHFFFAOYSA-N
XLogP0.58
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,3,6,6-tetramethyloctanedihydrazide
CID 123887942
3-hydroxy-3-methylhexanehydrazide
CID 59409443
3,3,3-trichloropropanehydrazide
CID 134894748
propanehydrazide;dihydrochloride
CID 121342206
N'-amino-4-hydrazinyl-2,2-dimethyl-4-oxobutanimidamide
CID 10035076
5-ethyl-3,3,5-trimethyloctanoic acid
CID 129126671
8-(tert-butylamino)-5-ethyl-2,2,5,7,7-pentamethyloctan-3-one
CID 176560184
N,3,3,5,5-pentamethylhexanamide
CID 134573804
3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide
CID 89042102
butanedihydrazide;hydrochloride
CID 54607274
3,3-dimethyl-N-propan-2-ylpentanamide
CID 89006014
2-[ethyl(methyl)amino]-2-methylpropanehydrazide
CID 130636692

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,5,5-trimethylheptanedihydrazide?
The IUPAC name of 3-ethyl-3,5,5-trimethylheptanedihydrazide (CID 118550299) is 3-ethyl-3,5,5-trimethylheptanedihydrazide.
What is the SMILES notation for 3-ethyl-3,5,5-trimethylheptanedihydrazide?
The canonical SMILES for 3-ethyl-3,5,5-trimethylheptanedihydrazide is CCC(C)(CC(=O)NN)CC(C)(C)CC(=O)NN.
What is the InChIKey of 3-ethyl-3,5,5-trimethylheptanedihydrazide?
The InChIKey is XXDIBUXIXVVCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-5-12(4,7-10(18)16-14)8-11(2,3)6-9(17)15-13/h5-8,13-14H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of 3-ethyl-3,5,5-trimethylheptanedihydrazide?
3-ethyl-3,5,5-trimethylheptanedihydrazide has a molecular weight of 258.37 g/mol, XLogP of 0.58, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,5,5-trimethylheptanedihydrazide is sourced from PubChem (CID 118550299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).